UCSF

ZINC00968147

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 -1.24 -5.88 1 1 0 20 158.2 1

Vendor Notes

Note Type Comments Provided By
BP 178 / 12 TCI
BP 178°/12mm Oakwood Chemical
MP 78-82° Oakwood Chemical
Mp [°C] 79 - 83 Acros Organics
MP 80 TCI
MP 80° Matrix Scientific
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links WO2008124749 ChEBI

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